4-[4-(Aminomethyl)-3-hydroxy-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid;1-[6-[[9-(2,4-dicarboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]methylamino]-6-oxohexyl]-2-[5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-[4-(Aminomethyl)-3-hydroxy-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid;1-[6-[[9-(2,4-dicarboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]methylamino]-6-oxohexyl]-2-[5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate
• 英文别名: 4-[4-(aminomethyl)-3-hydroxy-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid;1-[6-[[9-(2,4-dicarboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]methylamino]-6-oxohexyl]-2-[5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate
• 化学式: C116H115N7O25S2
• 分子量: 2071.3
• InChiKey: BHMKLDXTNLMABM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.33
• 重原子数：
  150
• 可旋转键数：
  31
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  505
• 氢给体数：
  8
• 氢受体数：
  28